Information card for entry 1551948

Structure parameters

• Formula: C28 H20 Ag2 Fe N8
• Calculated formula: C28 H20 Ag2 Fe N8
• Title of publication: Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks
• Authors of publication: Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 8.1397 ± 0.0009 Å
• b: 16.1472 ± 0.0018 Å
• c: 12.4881 ± 0.0013 Å
• α: 90°
• β: 123.039 ± 0.004°
• γ: 90°
• Cell volume: 1375.9 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No